CORINA Classic - Fast Generation of High-Quality 3D Molecular Models

CORINA Classic (the classic command-line version of CORINA) is a fast and powerful 3D structure generator for small and medium sized, typically drug-like molecules. Its robustness, comprehensiveness, speed and performance makes CORINA Classic a perfect application to convert large chemical datasets or databases.

CORINA Classic matured through a series of versions during the past decades and has become the recognized world-wide gold standard in industry and academia to generate 3D molecular models of high quality. Currently, CORINA Classic is used by Symyx, NCI/NIH and most major pharmaceutical and chemical companies to convert their 2D structures into 3D.

Features & Functionality

  • Supports standard chemical file formats such as SD/RDfile, SMILES, SYBYL MOL/MOL2, MacroModel, Maestro, PDB, CIF or CTX
  • Generates a single, high-quality and low-energy conformation (default)
    • Optionally generates multiple conformations for ring systems
  • Handles properly stereochemical information (atoms of up to a coordination number of 6)
    • Optionally generates stereoisomers
  • Includes optional structure clean-up and standardization features
    • Canocicalizes structures internally to ensure atom numbering-independent conformations
    • Removes small fragments in records, such as solvents or counterions
    • Neutralizes formal charges
    • Orients structures as a function of their principal moments of inertia
  • Handles a broad range of organic chemistry and organometallic compounds with atoms of up to a coordination number of 6
  • Processes the NCI Open Database (version May 2012) with 265,242 small to medium-sized molecules in less than one hour on a 2.0 GHz workstation (14 ms per structure) with a conversion rate of 99.5%
  • User Interface

    • Command line interface supporting batch mode
    • Component for BIOVIA Pipeline Pilot
    • Java-based graphical user interface CORINA.direct to trigger the command line version (including a molecule editor and a 3D structure viewer)

    Screenshot

    screenshot CORINA.direct

    System Requirements

    • Microsoft Windows XP/Vista/7 (win32)
    • Linux Kernel 2.6 32bit (64bit on request)
    • Mac OS X 10.9 (Intel only) on request

    Additional Info

    Downloadable PDFs

    Slide Show

    CORINA - 3D Structure Generation

    Online Demonstration

    CORINA Classic can be tested free of charge online.

    Evaluation Version

    A demo version is available on request free of charge. Please register in our Download Area.